CAS 175021-13-3 | Cyclobutanone, 3-(chloromethyl)- | CAS Number 175021-13-3

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175021-13-3 | Cyclobutanone, 3-(chloromethyl)-

CAS No: 175021-13-3 Catalog No: AG00203Z MDL No:MFCD11858225

Product Description

Catalog Number:

AG00203Z

Chemical Name:

Cyclobutanone, 3-(chloromethyl)-

CAS Number:

175021-13-3

Molecular Formula:

C5H7ClO

Molecular Weight:

118.5615

MDL Number:

MFCD11858225

IUPAC Name:

3-(chloromethyl)cyclobutan-1-one

InChI:

InChI=1S/C5H7ClO/c6-3-4-1-5(7)2-4/h4H,1-3H2

InChI Key:

WGNWWGRZUVTWEX-UHFFFAOYSA-N

SMILES:

ClCC1CC(=O)C1

Properties

Complexity:

82.1

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

118.019g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

118.56g/mol

Monoisotopic Mass:

118.019g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
Cyclobutane-containing alkaloids: origin, synthesis, and biological activities.	The open medicinal chemistry journal 20080101
Synthesis of 2,4-methanoproline analogues via an addition-intramolecular substitution sequence.	The Journal of organic chemistry 20020906